NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 3.9707 8.1233 122.3684 51.4759 20.7222 175.1974 2 W 5.1961 8.9050 118.4517 53.9536 33.4600 173.1257 3 K 4.8136 9.6120 123.3040 54.9599 35.1272 174.9620 4 V 4.9971 8.5843 127.3861 61.8840 33.4904 174.8574 5 S 4.8366 8.7468 118.9781 56.9378 66.8905 172.8184 6 V 4.8261 8.2354 120.8219 60.9849 34.1063 174.3230 7 D 4.4811 9.2005 128.6196 54.2180 41.1073 176.8101 8 Q 4.0525 8.9249 126.4837 58.9032 28.7456 178.2109 9 D 4.5396 8.1047 119.3815 57.0852 41.0944 178.7041 10 T 4.0069 7.9377 114.9322 65.6936 69.1275 174.6944 11 C 3.7131 7.3358 119.0048 60.1686 31.8013 173.3913 12 I 4.3554 8.2284 118.0097 60.1191 37.6709 175.2567 13 G 3.8295 8.1118 107.4574 47.0902 0.0000 175.2023 14 D 4.1831 8.3091 120.8512 55.3244 41.5524 176.7655 15 A 3.7289 8.1289 118.9354 52.8929 16.3283 178.9155 16 I 3.7201 7.1182 119.6180 64.2286 37.8415 178.0500 17 C 3.8318 7.7694 115.1920 61.3331 29.3607 175.6621 18 A 4.4357 7.8004 121.6832 54.1756 18.0208 179.2770 19 S 4.1659 7.5330 111.5422 61.6434 62.6524 176.0546 20 L 4.2303 7.6643 120.1769 56.6218 43.0489 176.9454 21 C 5.0236 8.6148 119.1177 53.9933 43.1378 172.2728 22 P 4.3523 0.0000 0.0000 64.1728 31.6321 177.7831 23 D 4.6049 7.9430 117.6924 55.0801 41.7791 176.6986 24 V 3.9959 7.6353 118.4717 63.1657 33.9980 175.1199 25 F 5.5989 8.0493 117.4898 55.7163 41.6117 175.0705 26 E 4.8527 9.1823 118.8329 55.2707 33.5137 173.7113 27 M 4.9577 8.6052 120.4673 54.4219 33.6614 176.1723 28 N 4.7982 8.8401 121.2988 51.2767 39.5221 175.5168 29 D 4.4651 8.5163 117.0225 56.7212 39.9417 177.2014 30 E 4.3213 8.8412 118.8463 55.7019 29.5314 177.1118 31 G 3.7949 8.2571 106.3894 46.0957 0.0000 173.8344 32 K 4.5997 7.4310 115.0147 53.5583 35.1535 175.6565 33 A 4.6846 8.2398 122.1014 52.7121 19.5377 176.9379 34 Q 4.6374 8.6011 117.9863 54.3556 33.2891 171.6590 35 P 4.8580 0.0000 0.0000 62.8427 31.7058 176.2066 36 K 4.3881 9.0173 123.6049 57.1246 33.2377 176.9588 37 V 4.4515 7.3691 119.4605 61.5585 34.5019 174.6694 38 E 4.4599 8.6700 123.5645 56.6963 30.2770 176.3751 39 V 4.6700 7.3843 117.3150 61.5659 34.6685 172.7829 40 I 4.5700 9.0124 127.7530 59.7459 39.1982 175.4384 41 E 4.3416 8.9094 125.5199 57.4112 31.2416 175.9903 42 D 4.5523 8.0177 117.8841 54.6399 41.9604 176.4679 43 E 4.3135 8.8323 124.4754 58.2844 29.6262 178.8787 44 E 3.9334 9.3822 121.0152 59.2844 29.8750 178.7207 45 L 3.9808 8.0716 118.5913 57.6528 41.7231 178.5992 46 Y 3.8528 7.5876 119.5767 60.6457 38.6552 177.9625 47 N 3.9106 7.9286 117.5427 56.3118 38.6924 174.9984 48 C 4.3307 7.8955 115.1315 58.0040 42.0015 175.7387 49 A 4.2229 7.7627 123.4061 54.6930 17.4904 179.1069 50 K 3.8795 7.5350 117.6825 58.4252 31.6976 178.7584 51 E 3.8706 7.7831 119.7782 59.2206 29.5292 178.5082 52 A 3.9221 8.4880 121.2478 55.3005 18.2238 179.1655 53 M 3.8333 7.8417 115.7079 58.6350 32.2981 177.5188 54 E 4.1110 7.6971 116.4290 57.7641 29.9903 177.4235 55 A 4.3552 7.2057 118.4225 52.5570 19.1033 177.1059 56 C 3.9164 7.7945 119.2249 59.1425 31.7569 172.7671 57 P 4.3723 0.0000 0.0000 64.7779 31.1895 177.2375 58 V 4.2307 7.4955 110.3780 60.1800 32.9026 175.6086 59 S 3.5930 7.5085 113.7947 59.7095 60.5390 172.4631 60 A 4.4605 7.5106 119.9942 52.5827 20.6629 178.2255 61 I 4.9978 7.5933 116.3697 60.0387 39.1080 175.4179 62 T 4.8376 8.6483 114.8310 60.1194 72.6130 172.6796 63 I 5.1273 8.4581 123.2909 59.6955 40.3071 174.2981 64 E 5.0231 9.2983 127.9915 54.3406 32.4645 174.3123 65 E 5.2163 8.8251 121.4695 54.4755 33.2852 175.4595 66 A 4.1631 8.0496 122.0406 52.4898 19.4058 176.0754 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.12 3.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 W 8.90 5.20 0.00 3.39 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.61 4.81 0.00 1.79 1.67 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.54 7.81 4 V 8.58 5.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 5 S 8.75 4.84 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.24 4.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.09 0.00 0.00 7 D 9.20 4.48 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.92 4.05 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 9 D 8.10 4.54 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.94 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 11 C 7.34 3.71 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.23 4.36 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.95 0.00 0.00 13 G 8.11 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.31 4.18 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.13 3.73 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.12 3.72 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.14 0.81 0.00 0.00 17 C 7.77 3.83 0.00 1.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.80 4.44 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.53 4.17 0.00 3.83 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.66 4.23 0.00 1.69 1.71 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.61 5.02 0.00 3.06 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.35 0.00 2.24 2.33 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 23 D 7.94 4.60 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.64 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.76 0.00 0.00 25 F 8.05 5.60 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.18 4.85 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 27 M 8.61 4.96 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 28 N 8.84 4.80 0.00 2.94 3.12 0.00 0.00 6.73 8.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.52 4.47 0.00 2.69 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.84 4.32 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 31 G 8.26 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.43 4.60 0.00 1.90 1.68 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.53 7.81 33 A 8.24 4.68 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.60 4.64 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 35 P 0.00 4.86 0.00 2.25 2.04 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 36 K 9.02 4.39 0.00 1.72 1.95 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.36 7.81 37 V 7.37 4.45 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 38 E 8.67 4.46 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 39 V 7.38 4.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 40 I 9.01 4.57 2.16 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 1.16 0.00 0.00 41 E 8.91 4.34 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 42 D 8.02 4.55 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.83 4.31 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 44 E 9.38 3.93 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 45 L 8.07 3.98 0.00 1.76 1.68 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.59 3.85 0.00 2.47 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.93 3.91 0.00 2.87 2.73 0.00 0.00 6.82 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 7.90 4.33 0.00 3.11 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.76 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.54 3.88 0.00 1.17 1.50 0.00 1.33 0.00 0.00 1.31 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.25 7.81 51 E 7.78 3.87 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 52 A 8.49 3.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 M 7.84 3.83 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 54 E 7.70 4.11 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 55 A 7.21 4.36 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 7.79 3.92 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.37 0.00 2.19 2.13 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 58 V 7.50 4.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.90 0.00 0.00 59 S 7.51 3.59 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.51 4.46 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.59 5.00 1.82 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 1.04 0.00 0.00 62 T 8.65 4.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 I 8.46 5.13 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 1.12 0.00 0.00 64 E 9.30 5.02 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 65 E 8.83 5.22 0.00 1.65 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 66 A 8.05 4.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00